[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H18N2O8S MolecularWeight: 422.40912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S/c1-12(2)19-17(21)11-27-18(22)13-6-8-15(9-7-13)28-29(25,26)16-5-3-4-14(10-16)20(23)24/h3-10,12H,11H2,1-2H3,(H,19,21)